In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 15 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.39 | 5.13 | -124.35 | 5 | 2 | 2 | 44 | 212.381 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.39 | 5.32 | -35.25 | 4 | 2 | 1 | 43 | 211.373 | 3 | ↓ |